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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3dZl89DRnQp
InChI InChI=1S/C24H22N4O3S/c1-4-31-20-9-5-7-18(13-20)28-23(30)21(22(29)26-24(28)32)12-17-11-15(2)27(16(17)3)19-8-6-10-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,32)/b21-12-
InChIKey WMZMAWHNCJRGFQ-MTJSOVHGSA-N
Mol Weight 446.53 g/mol
Molecular Formula C24H22N4O3S
Exact Mass 446.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9w44My50n4m
Name (5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H22N4O3S/c1-4-31-20-9-5-7-18(13-20)28-23(30)21(22(29)26-24(28)32)12-17-11-15(2)27(16(17)3)19-8-6-10-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,32)/b21-12-
InChIKey WMZMAWHNCJRGFQ-MTJSOVHGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3568
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 113206; Labnumber: PAVL-218242; VK_ID: VK-003569
Synonyms 5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C